2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole

C7H12FNO — CID 166858112

IUPAC2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C(F)C1=NCCO1
InChIInChI=1S/C7H12FNO/c1-5(2)6(8)7-9-3-4-10-7/h5-6H,3-4H2,1-2H3
InChIKeyUNURWVSKPNDYNE-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.41
Rot. Bonds2

About 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole

2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 166858112) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID166858112
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C(F)C1=NCCO1
InChIInChI=1S/C7H12FNO/c1-5(2)6(8)7-9-3-4-10-7/h5-6H,3-4H2,1-2H3
InChIKeyUNURWVSKPNDYNE-UHFFFAOYSA-N
XLogP1.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole (CID 166858112) is 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole is CC(C)C(F)C1=NCCO1.
What is the InChIKey of 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UNURWVSKPNDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(2)6(8)7-9-3-4-10-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole?
2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 145.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 166858112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).